1,2-dimethoxybutane;1,2-dimethoxypropane

C11H26O4 — CID 91039470

IUPAC1,2-dimethoxybutane;1,2-dimethoxypropane
SMILESCCC(COC)OC.COCC(C)OC
InChIInChI=1S/C6H14O2.C5H12O2/c1-4-6(8-3)5-7-2;1-5(7-3)4-6-2/h6H,4-5H2,1-3H3;5H,4H2,1-3H3
InChIKeyPJXZZKYXTGLEJT-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.73
Rot. Bonds7

About 1,2-dimethoxybutane;1,2-dimethoxypropane

1,2-dimethoxybutane;1,2-dimethoxypropane (PubChem CID 91039470) has the molecular formula C11H26O4 and a molecular weight of 222.32 g/mol. Its IUPAC name is 1,2-dimethoxybutane;1,2-dimethoxypropane.

Molecular Properties

Compound Name1,2-dimethoxybutane;1,2-dimethoxypropane
PubChem CID91039470
Molecular FormulaC11H26O4
Molecular Weight222.32 g/mol
Exact Mass222.18
IUPAC Name1,2-dimethoxybutane;1,2-dimethoxypropane
SMILESCCC(COC)OC.COCC(C)OC
InChIInChI=1S/C6H14O2.C5H12O2/c1-4-6(8-3)5-7-2;1-5(7-3)4-6-2/h6H,4-5H2,1-3H3;5H,4H2,1-3H3
InChIKeyPJXZZKYXTGLEJT-UHFFFAOYSA-N
XLogP1.73
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dimethoxypropane;thulium
CID 175866702
1,2-dimethoxypropane;ytterbium
CID 175853617
1,2-dimethoxypropane;holmium
CID 175853773
1,2-dimethoxybutane;1,4-dimethoxybutane;bis(1,2-dimethoxyethane);bis(1,2-dimethoxypropane);methane;2-[2-(6-methoxyhexanoyloxy)ethoxy]ethyl 6-methoxyhexanoate
CID 160528012
methane;1-methoxy-2-methylbutane;3-methoxypentane
CID 160866312
1,2-dimethoxy-4-methylhexane
CID 123627097
methane;1-methoxy-2-(2-methoxypropoxy)propane
CID 161499840
1,2-dimethoxypropane;1-(2-ethoxyethoxy)-2-methoxyethane
CID 158715782
1-methoxy-2-(2-methoxypropoxy)propane;pentane
CID 118376955
2-methoxy-4-(2-methoxyethoxy)hexane
CID 118459272
1,2,5,6-tetramethoxyhexane
CID 18679814
3-[2-[2-(2-methoxybutoxy)butoxy]butoxy]pentane
CID 90195811

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxybutane;1,2-dimethoxypropane?
The IUPAC name of 1,2-dimethoxybutane;1,2-dimethoxypropane (CID 91039470) is 1,2-dimethoxybutane;1,2-dimethoxypropane.
What is the SMILES notation for 1,2-dimethoxybutane;1,2-dimethoxypropane?
The canonical SMILES for 1,2-dimethoxybutane;1,2-dimethoxypropane is CCC(COC)OC.COCC(C)OC.
What is the InChIKey of 1,2-dimethoxybutane;1,2-dimethoxypropane?
The InChIKey is PJXZZKYXTGLEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C5H12O2/c1-4-6(8-3)5-7-2;1-5(7-3)4-6-2/h6H,4-5H2,1-3H3;5H,4H2,1-3H3.
What are the key properties of 1,2-dimethoxybutane;1,2-dimethoxypropane?
1,2-dimethoxybutane;1,2-dimethoxypropane has a molecular weight of 222.32 g/mol, XLogP of 1.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxybutane;1,2-dimethoxypropane is sourced from PubChem (CID 91039470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).